(4-methyl-4H-1,2,4-triazol-3-yl)methanamine → 5-Butyl-1-(5-methyl-4-(thiazol-5-yl)pyrimidin-2-yl)-N-((4-methyl-4H-1,2,4-triazol-3-yl)methyl)-1H-pyrazole-4-carboxamide

HRID 1558323Notes

Reaction equation

HRID 1558323 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([C:22](=[O:23])[OH:24])[cH:7][n:8][n:9]1-[c:10]1[n:11][cH:12][c:13]([CH3:21])[c:14](-[c:16]2[cH:17][n:18][cH:19][s:20]2)[n:15]1.[CH3:33][n:34]1[c:35]([CH2:39][NH2:40])[n:36][n:37][cH:38]1.[s:25]1[c:26]([B:27]([OH:28])[OH:29])[cH:30][n:31][cH:32]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([C:22](=[O:23])[NH:40][CH2:39][c:35]2[n:34]([CH3:33])[cH:38][n:37][n:36]2)[cH:7][n:8][n:9]1-[c:10]1[n:11][cH:12][c:13]([CH3:21])[c:14](-[c:16]2[cH:17][n:18][cH:19][s:20]2)[n:15]1

Participants

4

Reactant 3

HCID 21744036(4-methyl-4H-1,2,4-triazol-3-yl)methanamineHCID 45121658Thiazol-5-ylboronic acidHCID 60207815HCID 60207815, compound

Product 1

HCID 248989545-Butyl-1-(5-methyl-4-(thiazol-5-yl)pyrimidin-2-yl)-N-((4-methyl-4H-1,2,4-triazol-3-yl)methyl)-1H-pyrazole-4-carboxamide

Sources & evidence

ORD record
ord-138eff208c0f4f829155170c2a729c58
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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